BDBM50253343 CHEMBL494717::N,N-diisobutyl-(6-phenethyl-pyrimidin-2,4-yl)-diamine

SMILES CC(C)CNc1cc(CCc2ccccc2)nc(NCC(C)C)n1

InChI Key InChIKey=JXICFBPVMKMPAU-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50253343   

TargetEstrogen receptor beta(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50253343(N,N-diisobutyl-(6-phenethyl-pyrimidin-2,4-yl)-diam...)
Affinity DataIC50: 1.00E+6nMAssay Description:Antagonist activity at ERbeta in human HEC1 cells assessed as inhibition of estrogen-induced transcriptional activity after 24 hrs by reporter gene a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50253343(N,N-diisobutyl-(6-phenethyl-pyrimidin-2,4-yl)-diam...)
Affinity DataIC50: 2.10E+3nMAssay Description:Antagonist activity at ERalpha in human HEC1 cells assessed as inhibition of estrogen-induced transcriptional activity after 24 hrs by reporter gene ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50253343(N,N-diisobutyl-(6-phenethyl-pyrimidin-2,4-yl)-diam...)
Affinity DataKi:  5.80E+3nMAssay Description:Binding affinity to ERalpha assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50253343(N,N-diisobutyl-(6-phenethyl-pyrimidin-2,4-yl)-diam...)
Affinity DataKi: >1.00E+6nMAssay Description:Binding affinity to ERbeta assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed